148 citations · 815 across the 47 of their papers we have counts for
4 papers · 1 filter
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
Thomas Bondo Pedersen, Simen Kvaal
The formulation of the time-dependent Schrodinger equation in terms of coupled-cluster theory is outlined, with emphasis on the bivariational framework and its classical Hamiltonia…
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer
Fabian M. Faulstich, Mihály Máté, Andre Laestadius +8
In this article, we investigate the numerical and theoretical aspects of the coupled-cluster method tailored by matrix-product states. We investigate chemical properties of the use…
Generalized Kohn-Sham iteration on Banach spaces
Andre Laestadius, Markus Penz, Erik I. Tellgren +3
A detailed account of the Kohn-Sham algorithm from quantum chemistry, formulated rigorously in the very general setting of convex analysis on Banach spaces, is given here. Starting…
Analysis of The Tailored Coupled-Cluster Method in Quantum Chemistry
Fabian M. Faulstich, Andre Laestadius, Örs Legeza +2
In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schrödinger equation for molecules in the Born--Oppenheimer…